3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene

C34H32N2 — CID 129229764

IUPAC3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene
SMILESCC1=CC(c2ccccc2C2C3(C)c4ccccc4-c4cccn4C23C)N(C)C=C1c1ccccc1
InChIInChI=1S/C34H32N2/c1-23-21-31(35(4)22-28(23)24-13-6-5-7-14-24)25-15-8-9-16-26(25)32-33(2)29-18-11-10-17-27(29)30-19-12-20-36(30)34(32,33)3/h5-22,31-32H,1-4H3
InChIKeyDUTXGQXQUXBKAU-UHFFFAOYSA-N
MW468.64 g/mol
LogP7.91
Rot. Bonds3

About 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene

3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene (PubChem CID 129229764) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene.

Molecular Properties

Compound Name3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene
PubChem CID129229764
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC Name3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene
SMILESCC1=CC(c2ccccc2C2C3(C)c4ccccc4-c4cccn4C23C)N(C)C=C1c1ccccc1
InChIInChI=1S/C34H32N2/c1-23-21-31(35(4)22-28(23)24-13-6-5-7-14-24)25-15-8-9-16-26(25)32-33(2)29-18-11-10-17-27(29)30-19-12-20-36(30)34(32,33)3/h5-22,31-32H,1-4H3
InChIKeyDUTXGQXQUXBKAU-UHFFFAOYSA-N
XLogP7.91
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene?
The IUPAC name of 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene (CID 129229764) is 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene.
What is the SMILES notation for 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene?
The canonical SMILES for 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene is CC1=CC(c2ccccc2C2C3(C)c4ccccc4-c4cccn4C23C)N(C)C=C1c1ccccc1.
What is the InChIKey of 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene?
The InChIKey is DUTXGQXQUXBKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2/c1-23-21-31(35(4)22-28(23)24-13-6-5-7-14-24)25-15-8-9-16-26(25)32-33(2)29-18-11-10-17-27(29)30-19-12-20-36(30)34(32,33)3/h5-22,31-32H,1-4H3.
What are the key properties of 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene?
3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene has a molecular weight of 468.64 g/mol, XLogP of 7.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene is sourced from PubChem (CID 129229764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).